1-[4-[(2R)-2-methyl-4-methylsulfonylmorpholine-2-carbonyl]-1,4-diazepan-1-yl]ethanone

C14H25N3O5S — CID 124979282

IUPAC1-[4-[(2R)-2-methyl-4-methylsulfonylmorpholine-2-carbonyl]-1,4-diazepan-1-yl]ethanone
SMILESCC(=O)N1CCCN(C(=O)[C@@]2(C)CN(S(C)(=O)=O)CCO2)CC1
InChIInChI=1S/C14H25N3O5S/c1-12(18)15-5-4-6-16(8-7-15)13(19)14(2)11-17(9-10-22-14)23(3,20)21/h4-11H2,1-3H3/t14-/m1/s1
InChIKeyMABJSTMMODZSPD-CQSZACIVSA-N
MW347.44 g/mol
LogP-0.88
Rot. Bonds2

About 1-[4-[(2R)-2-methyl-4-methylsulfonylmorpholine-2-carbonyl]-1,4-diazepan-1-yl]ethanone

1-[4-[(2R)-2-methyl-4-methylsulfonylmorpholine-2-carbonyl]-1,4-diazepan-1-yl]ethanone (PubChem CID 124979282) has the molecular formula C14H25N3O5S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-[4-[(2R)-2-methyl-4-methylsulfonylmorpholine-2-carbonyl]-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(2R)-2-methyl-4-methylsulfonylmorpholine-2-carbonyl]-1,4-diazepan-1-yl]ethanone
PubChem CID124979282
Molecular FormulaC14H25N3O5S
Molecular Weight347.44 g/mol
Exact Mass347.15
IUPAC Name1-[4-[(2R)-2-methyl-4-methylsulfonylmorpholine-2-carbonyl]-1,4-diazepan-1-yl]ethanone
SMILESCC(=O)N1CCCN(C(=O)[C@@]2(C)CN(S(C)(=O)=O)CCO2)CC1
InChIInChI=1S/C14H25N3O5S/c1-12(18)15-5-4-6-16(8-7-15)13(19)14(2)11-17(9-10-22-14)23(3,20)21/h4-11H2,1-3H3/t14-/m1/s1
InChIKeyMABJSTMMODZSPD-CQSZACIVSA-N
XLogP-0.88
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 5-0.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(2R)-2-methyl-4-methylsulfonylmorpholine-2-carbonyl]-1,4-diazepan-1-yl]ethanone with MolForge

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Related Compounds

(4-cyclopentylpiperazin-1-yl)-(2,4-dimethylmorpholin-2-yl)methanone
CID 110267596
(2R)-N-ethyl-N-(2-hydroxyethyl)-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
CID 124991542
1-[2-methyl-2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)morpholin-4-yl]ethanone
CID 110094675
(2R)-N-benzyl-N,2-dimethyl-4-methylsulfonylmorpholine-2-carboxamide
CID 124940760
(4,4-difluoropiperidin-1-yl)-(2,4-dimethylmorpholin-2-yl)methanone
CID 73439501
1-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone
CID 155872480
(2S)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
CID 124977452
1-(azetidin-1-yl)ethanone
CID 14061673
(2S)-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
CID 125024983
[(2S)-2,4-dimethylmorpholin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 95839236
2,2-ditert-butyl-4-methylsulfonylmorpholine
CID 140924945
1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone
CID 131662776

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-2-methyl-4-methylsulfonylmorpholine-2-carbonyl]-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 1-[4-[(2R)-2-methyl-4-methylsulfonylmorpholine-2-carbonyl]-1,4-diazepan-1-yl]ethanone (CID 124979282) is 1-[4-[(2R)-2-methyl-4-methylsulfonylmorpholine-2-carbonyl]-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(2R)-2-methyl-4-methylsulfonylmorpholine-2-carbonyl]-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 1-[4-[(2R)-2-methyl-4-methylsulfonylmorpholine-2-carbonyl]-1,4-diazepan-1-yl]ethanone is CC(=O)N1CCCN(C(=O)[C@@]2(C)CN(S(C)(=O)=O)CCO2)CC1.
What is the InChIKey of 1-[4-[(2R)-2-methyl-4-methylsulfonylmorpholine-2-carbonyl]-1,4-diazepan-1-yl]ethanone?
The InChIKey is MABJSTMMODZSPD-CQSZACIVSA-N. The full InChI is InChI=1S/C14H25N3O5S/c1-12(18)15-5-4-6-16(8-7-15)13(19)14(2)11-17(9-10-22-14)23(3,20)21/h4-11H2,1-3H3/t14-/m1/s1.
What are the key properties of 1-[4-[(2R)-2-methyl-4-methylsulfonylmorpholine-2-carbonyl]-1,4-diazepan-1-yl]ethanone?
1-[4-[(2R)-2-methyl-4-methylsulfonylmorpholine-2-carbonyl]-1,4-diazepan-1-yl]ethanone has a molecular weight of 347.44 g/mol, XLogP of -0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R)-2-methyl-4-methylsulfonylmorpholine-2-carbonyl]-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 124979282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).